何彩静,秦德新,梁帅,刘师佺,李竣,黄先菊.基于网络药理学和分子对接探讨黄秦艽治疗炎症性肠病作用机制[J].中南民族大学学报自然科学版,2022,41(1):19-26
基于网络药理学和分子对接探讨黄秦艽治疗炎症性肠病作用机制
To explore the mechanism of Veratrilla baillonii Franch in the treatment of inflammatory bowel disease based on network pharmacology and molecular docking
  
DOI:10.12130/znmdzk.20220104
中文关键词: 黄秦艽  黄酮类成分  环烯醚萜苷类成分  炎症性肠病(IBD)  网络药理学  分子对接
英文关键词: Veratrilla baillonii Franch  flavonoids  iridoid glycosides  inflammatory bowel disease (IBD)  network pharmacology  molecular docking
基金项目:国家自然科学基金资助项目(81873090,81374064); 中央高校基本科研业务费专项资金资助项目(CZP20002)
作者单位
何彩静 中南民族大学 药学院武汉 430074博白县人民医院玉林 537600 
秦德新 博白县人民医院玉林 537600 
梁帅 中南民族大学 药学院武汉 430074博白县人民医院玉林 537600 
刘师佺 中南民族大学 药学院武汉 430074 
李竣 中南民族大学 药学院武汉 430074 
黄先菊 中南民族大学 药学院武汉 430074 
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中文摘要:
      通过中药网络药理学,预测及筛选黄秦艽活性成分和作用靶点,并通过分子对接技术和细胞实验验证了黄秦艽治疗炎症性肠病(IBD)的潜在靶点.结果从黄秦艽中获得14个活性成分,成分对应的潜在靶点共有278个,获得IBD疾病靶点1445个,交集后获得85个靶点,核心靶点42个,涉及32条主要生物过程,KEGG富集筛选出36条主要通路.分子对接结果显示,黄秦艽两种成分与MMP2、PIK3CA具有较好的结合性. 细胞实验结果显示,黄秦艽水提物(WVBF)可以显著改善LPS诱导的RAW264.7巨噬细胞炎症反应,减少炎症因子的释放,抑制MMP2和MMP9的表达.
英文摘要:
      hrough TCM network pharmacology, the potential active ingredients of Veratrilla baillonii Franch were predicted and screened, and the potential target of Veratrilla baillonii Franch on inflammatory bowel disease (IBD) were verified by molecular docking and cell experiment.14 active components of Veratrilla baillonii Franch were obtained through network pharmacology, with 278 potential targets corresponding to components, 1445 targets for IBD disease were obtained, and 85 targets were obtained after intersection, among which 42 core targets were involved in 32 major biological processes, and 36 major pathways were obtained by KEGG analysis.Molecular docking results showed that Veratrilla baillonii Franch and MMP2, PIK3CA had good binding properties.The results of cell experiment showed that WVBF could significantly improve the inflammatory response induced by LPS and inhibit the expression of MMP2 and MMP9 in RAW264.7 cells.
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